2,2,2,3′-Tetrafluoroacetophenone - ≥98% , CAS No.708-64-5

CAS: 708-64-5 Cat. No.: T474387 Fórmula: C₈H₄F₄O Peso molecular: 192.11 Número CE: 211-903-6 PubChem CID: 69723

GRADE & PURITY ≥98%

Synonyms

2,2,2-trifluoro-1-( 3-fluorophenyl)ethanone | NSC158170 | AKOS009157033 | Acetophenone,2,2,3'-tetrafluoro- | AMY18968 | m,.alpha.,.alpha.-Tetrafluoroacetophenone | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one | 2,2,2,3'-Tetrafluoroacetophenone, 99% | Eth

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Description

2,2,2,3′-Tetrafluoroacetophenone (m-fluorotrifluoroacetophenone, α,α,α,3-Tetrafluoroacetophenone) is a fluorine substituted aryl alkyl ketone. Electron transfer quenching ofm-fluorotrifluoroacetophenone has been studied.

Specifications

Sinónimos

2,2,2-trifluoro-1-( 3-fluorophenyl)ethanone | NSC158170 | AKOS009157033 | Acetophenone,2,2,3'-tetrafluoro- | AMY18968 | m,.alpha.,.alpha.-Tetrafluoroacetophenone | 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one | 2,2,2,3'-Tetrafluoroacetophenone, 99% | Eth

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528755092

Sorrisos canónicos

C1=CC(=CC(=C1)F)C(=O)C(F)(F)F

IUPAC Name

2,2,2-trifluoro-1-(3-fluorophenyl)ethanone

InChIKey

NQSPTMFCJGKOQJ-UHFFFAOYSA-N

INCHI

1S/C8H4F4O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H

SMILES isoméricas

C1=CC(=CC(=C1)F)C(=O)C(F)(F)F

PubChem CID

69723

Peso molecular

192.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-haloketone - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Ponto de ebulição (°C): 79/50mm
• Peso molecular: 192.110 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.02 Da
• Monoisotopic Mass: 192.02 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 199.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1